Geometry & MOs

Info

ID:	282760
PubChem CID:	103938104
Reduced:	SN5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	280.084576
ΔH_f, kcal/mol:	59.08
Dipole, Da:	6.8
IP(EA), eV:	-8.96(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-(2,5-difluorophenyl)sulfanylpyridin-2-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC[C@@H](C1=NC=C(C=C1)SC2=NN=C3N2CCCCC3)N

DOS

IR

Vibrations